CID 5274520

1-(3-nitrophenyl)-2-oxo-5,9b-dihydro-4ah-pyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C18H12N4O3
SMILES
C1=CC=C2C(=C1)C3C(N2)C=C(C(=O)N3C4=CC(=CC=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C18H12N4O3/c19-10-11-8-16-17(14-6-1-2-7-15(14)20-16)21(18(11)23)12-4-3-5-13(9-12)22(24)25/h1-9,16-17,20H
InChIKey
YZPQUEVIVNZDLM-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)-2-oxo-5,9b-dihydro-4aH-pyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.09094 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09822 182.8
[M+Na]+ 355.08016 192.2
[M-H]- 331.08366 185.3
[M+NH4]+ 350.12476 193.8
[M+K]+ 371.05410 178.9
[M+H-H2O]+ 315.08820 171.1
[M+HCOO]- 377.08914 196.3
[M+CH3COO]- 391.10479 212.6
[M+Na-2H]- 353.06561 186.3
[M]+ 332.09039 173.5
[M]- 332.09149 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.